UCSF

ZINC34830621

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.95 10.3 -18.02 0 6 0 61 513.66 6
Mid Mid (pH 6-8) 3.95 12.08 -59.15 1 6 1 62 514.668 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )